HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-5-(3-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one · 2H-Pyrrol-2-one, 1-(5-acetyl-4-methyl-2-thiazolyl)-1,5-dihydro-3-hydroxy-4-[(5-methyl-2-furanyl)carbonyl]-5-(3-propoxyphenyl)-

Identifiers & Physical Properties
| CAS No. | 619289-58-6 |
|---|---|
| Molecular formula | C25H24N2O6S |
| Average molar mass | 480.5 g/mol |
| SMILES | CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 |
| InChIKey | UKBQILWQTWFOAB-UHFFFAOYSA-N |
| ChEMBL | CHEMBL1580853 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 138 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 8 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 847 |
| Boiling point | 648.2±65.0 °C(Predicted) |
| Density | 1.355±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 4.50±1.00(Predicted) |